SCHEMBL1662545

SCHEMBL1662545

CC(O)C(N(C)C)n1cc([N+](=O)[O-])cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 4/20 0.38
MAPK1 P28482 3/20 0.38
F2 P00734 2/20 0.38
PLAU P00749 2/20 0.38
ELANE P08246 2/20 0.38
ATM Q13315 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23229770 0.81 RXFP1 (0.51) RXFP1SMN1; SMN2LMNAMAPK1F2
SCHEMBL574383 0.77 RXFP1 (0.49) RXFP1SMN1; SMN2LMNAMAPK1F2
SCHEMBL19010734 0.77 RXFP1 (0.53) RXFP1SMN1; SMN2LMNAMAPK1F2
SCHEMBL30962934 0.75 SMN1; SMN2 (0.44) RXFP1SMN1; SMN2LMNAMAPK1F2
SCHEMBL23675079 0.75 SMN1; SMN2 (0.46) RXFP1SMN1; SMN2LMNAMAPK1F2
SCHEMBL19010737 0.74 RXFP1 (0.56) RXFP1SMN1; SMN2LMNAMAPK1F2
SCHEMBL16975455 0.74 SMN1; SMN2 (0.45) RXFP1SMN1; SMN2LMNAMAPK1F2
SCHEMBL1662833 0.73
SCHEMBL31085494 0.72 ACHE (0.48) RXFP1SMN1; SMN2LMNAMAPK1F2
SCHEMBL25438635 0.71 RXFP1 (0.44) RXFP1SMN1; SMN2LMNAMAPK1F2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO disclosed